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Fexofenadine Hydrochloride

HCID 63002
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
153439-40-8
표준 SMILES
CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl
InChIKey
RRJFVPUCXDGFJB-UHFFFAOYSA-N
분자식
C32H40ClNO4
평균 분자량
538.1 g/mol
단동위원소 질량
537.2645865

이름 및 식별자

우선 이름
Fexofenadine Hydrochloride
IUPAC
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;hydrochloride
영어명
Fexofenadine hydrochloride
분자식
C32H40ClNO4
분자량
538.13

이름 및 동의어

FEXOFENADINE HYDROCHLORIDE153439-40-8FEXOFENADINE HCLAllegra AllergyAllegra HivesMDL 16,455ADTXSID5048716Children's Allegra HivesMDL-16455AChildren's Allegra Allergy2S068B75ZUDTXCID2028642
이름 더 보기
FexoAllegra2-[4-[1-Hydroxy-4-[4-(hydroxy-diphenyl-methyl)-1-piperidyl]-butyl]phenyl]-2-methyl-propanoic acid hydrochlorideTelfastAlernexFeksineFexofenFexadyneVivafeksTelfast BD
Benzeneacetic acid, 4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethyl-, hydrochlorideAllergillicIAllergy ReliefChildren AllergyWal-fexbasic care allergyFex-Allergy ReliefDye Free Wal Fex

데이터베이스 식별자

CAS
153439-40-8
PubChem CID
63002
DTXSID
DTXSID5048716
ChEMBL
CHEMBL1200618
ChEBI

물성

구조 계산 물성

극성 표면적
81 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
5
회전 가능 결합 수
10
무거운 원자 수
38
형식 전하
0
복잡도
678

실험 및 물리화학적 성질

Solubility71.8 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점
148 · 148-150oC
저장 조건
2 · 2-8°C
용해도
디메틸설폭사이드(50mM) 및 메탄올에 용해됩니다.
물리적 상태
가루
색상
흰색에서 베이지색
Merck
14 · 14,4068
InChIKey
RRJFVPUCXDGFJB-UHFFFAOYSA-N
SMILES
C(C1C=CC=CC=1)(C1C=CC=CC=1)(C1CCN(CCCC(C2C=CC(C(C)(C)C(=O)O)=CC=2)O)CC1)O.Cl

화학적 성질

Off-White Crystalline Solid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Danger

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (42.9%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H360 (42.9%): May damage fertility or the unborn child [Danger Reproductive toxicity];H361d (14.3%): Suspected of damaging the unborn child [Warning Reproductive toxicity]

P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 7 reports by companies.;There are 5 notifications provided by 6 of 7 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (28.6%);Acute Tox. 2 (14.3%);Skin Irrit. 2 (28.6%);Skin Sens. 1 (42.9%);Eye Irrit. 2A (28.6%);STOT SE 3 (14.3%);Repr. 1B (42.9%);Repr. 2 (14.3%)

독성 정보

Treatment

화학 및 산업

약리 정보

Metabolism/MetabolitesApproximately 5% of the total dose is metabolized, by cytochrome P450 3A4 and by intestinal microflora. Half Life: 14.4 hours
FDA Pharmacological Classification · 6건

FEXOFENADINE HCL

Histamine-1 Receptor Antagonist [EPC]; Histamine H1 Receptor Antagonists [MoA]

FEXOFENADINE HYDROCHLORIDE

Histamine H1 Receptor Antagonists [MoA]; Histamine-1 Receptor Antagonist [EPC]

FEXOFENADINE HYDROCHLORIDE 180 MG

Histamine-1 Receptor Antagonist [EPC]; Histamine H1 Receptor Antagonists [MoA]

MeSH Pharmacological Classification · 2건

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

A class of non-sedating drugs that bind to but do not activate histamine receptors (DRUG INVERSE AGONISM), thereby blocking the actions of histamine or histamine agonists. These antihistamines represent a heterogenous group of compounds with differing chemical structures, adverse effects, distribution, and metabolism. Compared to the early (first generation) antihistamines, these non-sedating antihistamines have greater receptor specificity, lower penetration of BLOOD-BRAIN BARRIER, and are less likely to cause drowsiness or psychomotor impairment.

용도 및 제조

UsesAn antihistamine drug used in the treatment of hayfever and similar allergy symptoms.
응용 분야 · 3건

개요Fexofenadine is a histamine H1 receptor antagonist (Ki = 10 nM). It reverses contraction of isolated rat tracheal strips induced by acetyl-β-methylcholine . Fexofenadine inhibits expression of IL-8 in TNF-α-stimulated HCT116 and COLO 205 cells. Oral administration of fexofenadine (2 and 10 mg/kg) reduces severity of colitis and phospho-IκB kinase activation in a mouse model of colitis induced by dextran sulfate sodium (DSS; ).

관련 반응

40건
반응 기록 만들기
HRID 341720 반응식
HRID 341720생성물로uspto-grants-1999_01
HRID 589315 반응식
HRID 589315반응물로uspto-grants-2016_01
HRID 644791 반응식
HRID 644791생성물로uspto-grants-2010_04
HRID 644792 반응식
HRID 644792생성물로uspto-grants-2010_04
HRID 644793 반응식
HRID 644793생성물로uspto-grants-2010_04
HRID 720698 반응식
HRID 720698생성물로uspto-grants-2006_11
HRID 720699 반응식
HRID 720699생성물로uspto-grants-2006_11
HRID 720700 반응식
HRID 720700생성물로uspto-grants-2006_11
1 / 5 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
CHEBI:5051
UNII
2S068B75ZU
EC Number
604-906-2
In the event of overdose, consider standard measures to remove any unabsorbed drug. Symptomatic and supportive treatment is recommended. (L1712)
Exposure RoutesOral. 33%
Toxicity Summary · 1건

Like other H1-blockers, Fexofenadine competes with free histamine for binding at H1-receptors in the GI tract, large blood vessels, and bronchial smooth muscle. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms (eg. nasal congestion, watery eyes) brought on by histamine. Fexofenadine exhibits no anticholinergic, antidopaminergic, alpha1-adrenergic or beta-adrenergic-receptor blocking effects.

Signs and SymptomsSide effects include dizziness, drowsiness, and dry mouth.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Fexofenadine hydrochloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation · 1건

◉ Summary of Use during Lactation;Because of its lack of sedation and low milk levels, maternal use of fexofenadine would not be expected to cause any adverse effects in breastfed infants. Fexofenadine might have a negative effect on lactation, especially in combination with a sympathomimetic agent such as pseudoephedrine.;◉ Effects in Breastfed Infants;In one telephone follow-up study of 25 infants exposed to the fexofenadine's parent drug terfenadine, 3 mothers reported irritability in their infants. None of the reactions required medical attention.;◉ Effects on Lactation and Breastmilk;Antihistamines in relatively high doses given by injection can decrease basal serum prolactin in nonlactating women and in early postpartum women. However, suckling-induced prolactin secretion is not affected by antihistamine pretreatment of postpartum mothers. Whether lower oral doses of antihistamines have the same effect on serum prolactin or whether the effects on prolactin have any consequences on breastfeeding success have not been studied. The prolactin level in a mother with established lactation may not affect her ability to breastfeed.

안전 데이터

wgk
3
HS 번호
2933399090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
스토리지 클래스
11 - Combustible Solids

용도Fexofenadine hydrochloride is used as an antihistamine that inhibits Cox-1, Cox-2, and is a histamine H1 receptor agonist.

일반 설명Fexofenadine hydrochloride, (±)-4-[1-hydroxy-4-[4-(hydroxyldiphenylmethyl)- 1-piperinyl]butyl-α,α-dimethylbenzeneacetic acid (Allegra), occurs as a white to off-white crystalline powder that is freely soluble in methanol and ethanol, slightly soluble in chloroform and water, and insoluble in hexane. This compound is marketed as a racemate and exists as a zwitterion in aqueous media at physiological pH. Fexofenadine is a primary oxidative metabolite of terfenadine. Terfenadine was developed during a search for new butyrophenone antipsychotic drugs as evidenced by the presence of the N-phenylbutanol substituent. It also contains a diphenylmethyl-piperidine moiety analogous to that found in the piperazine antihistamines.

상·하류 제품 정보

상류 원료

알파-[4-(1,1-디메틸에틸)페닐]-4-(하이드록시디페닐메틸)-1-피페리딘부타놀 ; 테르페나딘, 알다반염화알루미늄4-피페리딘메탄올요오드트리메틸실란나트륨 붕소수화물

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